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2-Chlorotrichlorotoluene - ≥98.0%(GC), high purity , CAS No.2136-89-2

COA

Grade & Purity:

≥98%(GC)

Cas Number: 2136-89-2
Molecular Weight: 229.91
Beilstein Registry Number: 5(4)823
MDL number: MFCD00000788
PubChem CID: 16494
PubChem SID: 488182254

In stock

Item Number

C132078

Grouped product items
SKU	Size	Availability	Price
C132078-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$9.90
C132078-100g	100g	5	$29.90
C132078-500g	500g	2	$90.90

View related series

Aryl halides (excluding fluorides) (243) Non heterocyclic block (8163)

Basic Description

Synonyms	1-Chloro-2-(trichloromethyl)benzene \| 1-chloro-2-(trichloro-methyl)benzene \| .alpha.,.alpha.,.alpha.,2-Tetrachlorotoluene \| DTXSID50871863 \| 1-chloranyl-2-(trichloromethyl)benzene \| Chlorbenzotrichlorid \| α,α,α,2-Tetrachlorotoluene
Specifications & Purity	≥98%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Aryl chlorides Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488182254
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182254
IUPAC Name	1-chloro-2-(trichloromethyl)benzene
INCHI	InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey	MFHPYLFZSCSNST-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(Cl)(Cl)Cl)Cl
Isomeric SMILES	C1=CC=C(C(=C1)C(Cl)(Cl)Cl)Cl
WGK Germany	2
Molecular Weight	229.91
Beilstein	5(4)823
Reaxy-Rn	2046639
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046639&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number	Certificate Type	Date	Item
F1621049	Certificate of Analysis	Jul 09, 2025	C132078
G2318540	Certificate of Analysis	May 09, 2025	C132078
G2318557	Certificate of Analysis	May 09, 2025	C132078
G2318541	Certificate of Analysis	May 09, 2025	C132078
D2510332	Certificate of Analysis	Mar 27, 2025	C132078
B2318359	Certificate of Analysis	Dec 12, 2024	C132078
A2514289	Certificate of Analysis	Jun 17, 2024	C132078
B2223773	Certificate of Analysis	Dec 25, 2023	C132078
F2327630	Certificate of Analysis	Jun 05, 2023	C132078
B2223731	Certificate of Analysis	Jan 19, 2022	C132078

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	1.583
Flash Point(°F)	208.4 °F
Flash Point(°C)	98 °C
Boil Point(°C)	260-264℃
Melt Point(°C)	28-31℃
Molecular Weight	229.900 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	229.904 Da
Monoisotopic Mass	227.907 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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